2,12-diazatricyclo[8.7.0.011,15]heptadeca-1(17),3,5,7,9,11,13,15-octaene

C15H12N2 — CID 137210190

IUPAC2,12-diazatricyclo[8.7.0.011,15]heptadeca-1(17),3,5,7,9,11,13,15-octaene
SMILESc1ccc[nH]c2ccc3ccnc3c2ccc1
InChIInChI=1S/C15H12N2/c1-2-4-6-13-14(16-10-5-3-1)8-7-12-9-11-17-15(12)13/h1-11,16H/b3-1-,4-2+,10-5+,13-6+
InChIKeyORIQYRGHGRRGJR-NROZLGMASA-N
MW220.28 g/mol
LogP3.84
Rot. Bonds

About 2,12-diazatricyclo[8.7.0.011,15]heptadeca-1(17),3,5,7,9,11,13,15-octaene

2,12-diazatricyclo[8.7.0.011,15]heptadeca-1(17),3,5,7,9,11,13,15-octaene (PubChem CID 137210190) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 2,12-diazatricyclo[8.7.0.011,15]heptadeca-1(17),3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name2,12-diazatricyclo[8.7.0.011,15]heptadeca-1(17),3,5,7,9,11,13,15-octaene
PubChem CID137210190
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name2,12-diazatricyclo[8.7.0.011,15]heptadeca-1(17),3,5,7,9,11,13,15-octaene
SMILESc1ccc[nH]c2ccc3ccnc3c2ccc1
InChIInChI=1S/C15H12N2/c1-2-4-6-13-14(16-10-5-3-1)8-7-12-9-11-17-15(12)13/h1-11,16H/b3-1-,4-2+,10-5+,13-6+
InChIKeyORIQYRGHGRRGJR-NROZLGMASA-N
XLogP3.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,12-diazatricyclo[8.7.0.011,15]heptadeca-1(17),3,5,7,9,11,13,15-octaene?
The IUPAC name of 2,12-diazatricyclo[8.7.0.011,15]heptadeca-1(17),3,5,7,9,11,13,15-octaene (CID 137210190) is 2,12-diazatricyclo[8.7.0.011,15]heptadeca-1(17),3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 2,12-diazatricyclo[8.7.0.011,15]heptadeca-1(17),3,5,7,9,11,13,15-octaene?
The canonical SMILES for 2,12-diazatricyclo[8.7.0.011,15]heptadeca-1(17),3,5,7,9,11,13,15-octaene is c1ccc[nH]c2ccc3ccnc3c2ccc1.
What is the InChIKey of 2,12-diazatricyclo[8.7.0.011,15]heptadeca-1(17),3,5,7,9,11,13,15-octaene?
The InChIKey is ORIQYRGHGRRGJR-NROZLGMASA-N. The full InChI is InChI=1S/C15H12N2/c1-2-4-6-13-14(16-10-5-3-1)8-7-12-9-11-17-15(12)13/h1-11,16H/b3-1-,4-2+,10-5+,13-6+.
What are the key properties of 2,12-diazatricyclo[8.7.0.011,15]heptadeca-1(17),3,5,7,9,11,13,15-octaene?
2,12-diazatricyclo[8.7.0.011,15]heptadeca-1(17),3,5,7,9,11,13,15-octaene has a molecular weight of 220.28 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12-diazatricyclo[8.7.0.011,15]heptadeca-1(17),3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 137210190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).